SCHEMBL6671833

SCHEMBL6671833

COC(=O)c1ccc(Oc2ccccn2)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRA3 P34903 3/20 0.45
IP6K1 Q92551 2/20 0.44
IP6K3 Q96PC2 2/20 0.44
IP6K2 Q9UHH9 2/20 0.44
PTGS2 P35354 1/20 0.44
DHODH Q02127 1/20 0.43
GABRA1 P14867 2/20 0.42
GABRA5 P31644 1/20 0.42
GABRA2 P47869 1/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
SLC6A2 P23975 1/20 0.42
PLA2G2A P14555 1/20 0.42
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6776652 0.87 IP6K1 (0.50) TDP1IP6K1IP6K3IP6K2PTGS2
SCHEMBL26123061 0.82 TDP1 (0.46) TDP1GABRG2GABRB3GABRA3PTGS2
SCHEMBL23387021 0.82 TDP1 (0.46) TDP1PTGS2DHODHALDH1A1MAPT
SCHEMBL6775841 0.80 KDM4E (0.62) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL24579568 0.78 SLC6A3 (0.61) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL6772100 0.77 FNTA (0.56) TDP1KMT2A
SCHEMBL7140058 0.77 FNTA (0.56) TDP1KMT2A
SCHEMBL6777898 0.77 PTGS2 (0.39) TDP1IP6K1IP6K3IP6K2PTGS2
SCHEMBL6624627 0.76 FNTA (0.57) TDP1
SCHEMBL6627025 0.76 FNTA (0.57) TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed
US-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 TDP1 3740/4885GABRG2 4176/4885GABRB3 3931/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.